Structure Information
Structure

Compound Identification

SMILES

OCC1=CC=C(C=C1)C1CC(CSC2=CC=C(C=C2)C(O)=O)OC(O1)C1=CC=C(C=C1)C1=CC(CNC(=O)C2=CN=CC=C2)=CC=C1

InChIKey

InChIKey=CVWWXEMOOBKBDR-UHFFFAOYSA-N

Formula

C38H34N2O6S

Mass

646.76

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Sulfanylbenzoic acids and derivatives - P-sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-sulfanylbenzoic acid - Pyridine carboxylic acid or derivatives - Nicotinamide - Benzoic acid - Aryl thioether - Thiophenol ether - Benzyl alcohol - Benzoyl - Hydroxypyridine - Alkylarylthioether - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyridine - N-acyl-amine - Meta-dioxane - Heteroaromatic compound - Thioenolether - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

Previous Back Next